SCHEMBL29637844

SCHEMBL29637844

Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(O)c4c3O)c(C)c2)ccc1N=Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(O)c2c1O.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.81

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB known ✓ P10828 2/20 0.56
▸ PTPN1 P18031 5/20 0.81
▸ USP2 O75604 1/20 0.81
▸ ATM Q13315 1/20 0.81
▸ L3MBTL1 Q9Y468 1/20 0.81
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ POLB P06746 1/20 0.66
▸ GRK2 P25098 1/20 0.66
▸ PLEC Q15149 1/20 0.66
▸ HTT P42858 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.56
▸ MAPK1 P28482 3/20 0.56
▸ HIF1A Q16665 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ ALOX15 P16050 2/20 0.56
▸ ALOX12 P18054 2/20 0.56
▸ RECQL P46063 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trypan Blue Free Acid SCHEMBL31686853 0.90 PTPN1 (1.00) PTPN1USP2ATML3MBTL1MEN1
Trypan Blue Free Acid SCHEMBL29350476 0.90 PTPN1 (1.00) PTPN1USP2ATML3MBTL1MEN1
Trypan Blue Free Acid SCHEMBL9724 0.90 PTPN1 (1.00) PTPN1USP2ATML3MBTL1MEN1
Trypan Blue Free Acid SCHEMBL29371631 0.90 PTPN1 (1.00) PTPN1USP2ATML3MBTL1MEN1
SCHEMBL29637814 0.88 MEN1 (0.64) PTPN1USP2ATML3MBTL1MEN1
SCHEMBL11758184 0.84 MEN1 (0.71) PTPN1USP2ATML3MBTL1MEN1
SCHEMBL11758196 0.84 MEN1 (0.71) PTPN1USP2ATML3MBTL1MEN1
SCHEMBL29476106 0.84 MEN1 (0.73) PTPN1USP2ATML3MBTL1MEN1
SCHEMBL29527866 0.83 MEN1 (0.83) PTPN1USP2ATML3MBTL1MEN1
SCHEMBL11763979 0.82 MEN1 (0.74) PTPN1USP2ATML3MBTL1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260053605-A1 DENTAL PORCELAIN PASTE, DENTAL PORCELAIN KIT, AND METHOD FOR PRODUCING DENTAL PORCELAIN PROSTHESIS KURARAY NORITAKE DENTAL INC. (JP) 2026-02-26 — — US disclosed
US-20250290249-A1 DIRECT TO FILM TRANSFER PROCESS FOR INKJET INKS ON SUBSTRATES USING PIGMENTED POLYMER POWDERS Prism Inks, Inc. (US) 2025-09-18 — — US disclosed
EP-4617076-A1 DIRECT TO FILM TRANSFER PROCESS FOR INKJET INKS ON SUBSTRATES USING PIGMENTED POLYMER POWDERS Prism Inks, Inc. (US) 2025-09-17 — — EP disclosed
US-12359081-B2 Ink, method for producing ink, and inkjet system RICOH COMPANY, LTD. (JP) 2025-07-15 — — US disclosed
EP-4582073-A1 DENTAL PORCELAIN PASTE, DENTAL PORCELAIN KIT, AND METHOD FOR PRODUCING DENTAL PORCELAIN PROSTHESIS Kuraray Noritake Dental Inc. (JP) 2025-07-09 — — EP disclosed
CN-119816284-A Dental porcelain paste, dental porcelain kit, and method for producing dental porcelain patch 可乐丽则武齿科株式会社 2025-04-11 — — CN disclosed
CN-113316744-B Oxime ester photoinitiators with special aroyl chromophores 巴斯夫欧洲公司 2024-07-30 — — CN disclosed
WO-2024048794-A1 DENTAL PORCELAIN PASTE, DENTAL PORCELAIN KIT, AND METHOD FOR PRODUCING DENTAL PORCELAIN PROSTHESIS クラレノリタケデンタル株式会社 2024-03-07 — — WO disclosed
CN-114574036-B Ink, method for manufacturing ink, and inkjet system 株式会社理光 2023-11-17 — — CN disclosed
CN-113474173-B Dispersion composition for ink and ink composition 日本化药株式会社 2023-08-11 — — CN disclosed
CN-115704928-A Cured film for information display device, composition for transparent cured film, and information display device 日铁化学材料株式会社 2023-02-17 — — CN disclosed
CN-111344319-B Block copolymer 毕克化学有限公司 2022-12-23 — — CN disclosed
CN-115210219-A Oxime ester photoinitiators 巴斯夫欧洲公司 2022-10-18 — — CN disclosed
US-20220195224-A1 DISPERSION LIQUID COMPOSITION FOR INK, AND INK COMPOSITION NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2022-06-23 — — US disclosed
CN-111344367-B Block copolymer 毕克化学有限公司 2022-06-17 — — CN disclosed
CN-111094474-B Near-infrared-curable ink composition, near-infrared-curable film, method for producing near-infrared-curable film, and method for photo-molding 住友金属矿山株式会社 2022-06-07 — — CN disclosed
US-20220169877-A1 INK, METHOD FOR PRODUCING INK, AND INKJET SYSTEM RICOH COMPANY, LTD. (JP) 2022-06-02 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20260053605-A1 DENTAL PORCELAIN PASTE, DENTAL PORCELAIN KIT, AND METHOD FOR PRODUCING DENTAL PORCELAIN PROSTHESIS GLA, LBR, PGA5 THRB 1950/4885PTPN1 3783/4885USP2 1907/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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